(4E)-4-Hepten-2-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    36678-43-0

    Molecular formula
    C7H12O

    SMILES
    CC/C=C/CC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Green 89.6%
    Fruity 84.2%
    Herbal 66.41%
    Fatty 64.38%
    Earthy 60.94%
    Vegetable 54.37%
    Grassy 51.95%
    Cheesy 51.6%
    Fresh 48.04%
    Spicy 46.96%

     

    Flavor
    Fruity 55.7%
    Green 52.67%
    Fatty 33.87%
    Spicy 32.73%
    Mushroom 32.42%
    Earthy 32.14%
    Ethereal 31.48%
    Fresh 28.92%
    Grassy 28.1%
    Herbal 28.02%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    8.53 (weak base)

    Molecular weight
    112.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    151°C

    Flash point

    • 45.48 ˚C est.

  • Synonyms

    • 36678-43-0
    • (4E)-4-Hepten-2-one
    • DTXSID001315517
    • RefChem:1050478
    • DTXCID001745423
    • 4-Hepten-2-one
    • (E)-hept-4-en-2-one
    • (4E)-hept-4-en-2-one
    • 24332-22-7
    • hept-4-en-2-one
    • (E)-4-Hepten-2-one
    • 4-Hepten-2-one, (4E)- (9CI)
    • 4-Hepten-2-one, (E)-
    • SCHEMBL839630
    • (4E)-4-Hepten-2-one #
    • SCHEMBL22639086
    • CHEBI:87582
    • VQKIKHHXFHNXJT-SNAWJCMRSA-N
    • LMFA12000104
    • EN300-1855706
    • Q27159750
    • 24332-22-7

  • Applications

    (4E)-4-Hepten-2-one (CAS 36678-43-0) is primarily used as a fragrance intermediate and odorant in perfumery, contributing green, fresh notes and serving as a building block for aroma compounds. It is commonly evaluated for use in cosmetics and personal care formulations and in household and cleaning products as a fragrance ingredient. In industrial manufacturing, it can function as an intermediate in the synthesis of additional aroma chemicals and fragrance components, and it may be incorporated into coatings and inks as a scent additive, subject to formulation constraints and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 685.05
    methanol 712.84
    isopropanol 575.4
    water 3.54
    ethyl acetate 243.74
    n-propanol 497.62
    acetone 410.1
    n-butanol 497.31
    acetonitrile 318.37
    DMF 550.46
    toluene 147.31
    isobutanol 364.33
    1,4-dioxane 617.81
    methyl acetate 237.28
    THF 706.52
    2-butanone 263.09
    n-pentanol 297.06
    sec-butanol 426.85
    n-hexane 159.65
    ethylene glycol 217.66
    NMP 494.91
    cyclohexane 197.93
    DMSO 525.08
    n-butyl acetate 261.08
    n-octanol 265.37
    chloroform 965.57
    n-propyl acetate 141.35
    acetic acid 465.78
    dichloromethane 642.02
    cyclohexanone 478.63
    propylene glycol 332.04
    isopropyl acetate 145.2
    DMAc 405.24
    2-ethoxyethanol 296.51
    isopentanol 357.7
    n-heptane 151.99
    ethyl formate 174.38
    1,2-dichloroethane 289.56
    n-hexanol 553.29
    2-methoxyethanol 580.9
    isobutyl acetate 101.35
    tetrachloromethane 188.82
    n-pentyl acetate 162.36
    transcutol 1040.21
    n-heptanol 204.76
    ethylbenzene 103.66
    MIBK 158.72
    2-propoxyethanol 501.79
    tert-butanol 590.28
    MTBE 298.0
    2-butoxyethanol 255.67
    propionic acid 355.52
    o-xylene 122.16
    formic acid 137.28
    diethyl ether 309.05
    m-xylene 121.28
    p-xylene 121.27
    chlorobenzene 191.07
    dimethyl carbonate 76.92
    n-octane 44.6
    formamide 141.57
    cyclopentanone 451.53
    2-pentanone 249.01
    anisole 194.32
    cyclopentyl methyl ether 330.47
    gamma-butyrolactone 443.0
    1-methoxy-2-propanol 439.22
    pyridine 336.75
    3-pentanone 172.12
    furfural 384.36
    n-dodecane 37.54
    diethylene glycol 386.62
    diisopropyl ether 101.25
    tert-amyl alcohol 434.95
    acetylacetone 234.54
    n-hexadecane 40.57
    acetophenone 160.51
    methyl propionate 184.11
    isopentyl acetate 226.99
    trichloroethylene 544.1
    n-nonanol 214.28
    cyclohexanol 471.54
    benzyl alcohol 175.99
    2-ethylhexanol 289.96
    isooctanol 145.94
    dipropyl ether 252.15
    1,2-dichlorobenzene 183.13
    ethyl lactate 110.94
    propylene carbonate 257.92
    n-methylformamide 232.7
    2-pentanol 326.48
    n-pentane 150.36
    1-propoxy-2-propanol 386.67
    1-methoxy-2-propyl acetate 227.0
    2-(2-methoxypropoxy) propanol 304.87
    mesitylene 83.21
    ε-caprolactone 374.54
    p-cymene 106.0
    epichlorohydrin 398.99
    1,1,1-trichloroethane 370.83
    2-aminoethanol 364.35
    morpholine-4-carbaldehyde 520.64
    sulfolane 513.48
    2,2,4-trimethylpentane 53.33
    2-methyltetrahydrofuran 515.95
    n-hexyl acetate 307.94
    isooctane 43.36
    2-(2-butoxyethoxy)ethanol 372.78
    sec-butyl acetate 101.99
    tert-butyl acetate 166.89
    decalin 73.58
    glycerin 345.52
    diglyme 526.74
    acrylic acid 290.94
    isopropyl myristate 133.44
    n-butyric acid 443.31
    acetyl acetate 148.69
    di(2-ethylhexyl) phthalate 135.46
    ethyl propionate 134.36
    nitromethane 392.78
    1,2-diethoxyethane 299.11
    benzonitrile 236.1
    trioctyl phosphate 107.6
    1-bromopropane 289.56
    gamma-valerolactone 518.33
    n-decanol 158.03
    triethyl phosphate 107.97
    4-methyl-2-pentanol 169.87
    propionitrile 276.37
    vinylene carbonate 232.91
    1,1,2-trichlorotrifluoroethane 388.81
    DMS 175.62
    cumene 85.26
    2-octanol 154.78
    2-hexanone 193.46
    octyl acetate 176.18
    limonene 189.25
    1,2-dimethoxyethane 439.21
    ethyl orthosilicate 104.82
    tributyl phosphate 125.58
    diacetone alcohol 240.43
    N,N-dimethylaniline 153.6
    acrylonitrile 276.0
    aniline 207.53
    1,3-propanediol 397.82
    bromobenzene 192.56
    dibromomethane 492.21
    1,1,2,2-tetrachloroethane 489.13
    2-methyl-cyclohexyl acetate 177.37
    tetrabutyl urea 166.72
    diisobutyl methanol 143.11
    2-phenylethanol 225.22
    styrene 128.72
    dioctyl adipate 193.03
    dimethyl sulfate 126.78
    ethyl butyrate 176.04
    methyl lactate 156.85
    butyl lactate 162.81
    diethyl carbonate 128.17
    propanediol butyl ether 326.83
    triethyl orthoformate 142.35
    p-tert-butyltoluene 106.09
    methyl 4-tert-butylbenzoate 209.2
    morpholine 675.65
    tert-butylamine 431.09
    n-dodecanol 124.99
    dimethoxymethane 264.87
    ethylene carbonate 196.8
    cyrene 205.74
    2-ethoxyethyl acetate 196.54
    2-ethylhexyl acetate 184.17
    1,2,4-trichlorobenzene 216.79
    4-methylpyridine 330.13
    dibutyl ether 225.74
    2,6-dimethyl-4-heptanol 143.11
    DEF 283.81
    dimethyl isosorbide 378.93
    tetrachloroethylene 322.54
    eugenol 200.21
    triacetin 273.18
    span 80 342.66
    1,4-butanediol 177.9
    1,1-dichloroethane 381.09
    2-methyl-1-pentanol 242.09
    methyl formate 158.01
    2-methyl-1-butanol 333.29
    n-decane 57.84
    butyronitrile 335.97
    3,7-dimethyl-1-octanol 220.18
    1-chlorooctane 153.15
    1-chlorotetradecane 70.55
    n-nonane 62.68
    undecane 45.12
    tert-butylcyclohexane 70.72
    cyclooctane 65.39
    cyclopentanol 449.19
    tetrahydropyran 605.56
    tert-amyl methyl ether 227.5
    2,5,8-trioxanonane 435.36
    1-hexene 271.57
    2-isopropoxyethanol 210.71
    2,2,2-trifluoroethanol 125.53
    methyl butyrate 179.85

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction